COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL446036
Chemical Name: 2-(4-nitrophenyl)-5-propyl-4-[(1E)-N-(pyridin-4-ylmethyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one
Smiles: CCCc1[nH]n(c(=O)c1/C(=N/Cc1ccncc1)/C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 379.42
Empirical Formula: C20H21N5O3

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 2.986
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 3

     

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